File name: Pandora69s1_NewBrunswickNJ_20221225_L2Fit_fout2c23d20210421p1-8.txt File generation date: 20250604T221635.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c23p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 69 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora69_OF_v2d20210223.txt Instrument calibration file used: Pandora69s1_CF_v23d20210421.txt Level 1 file used: Pandora69s1_NewBrunswickNJ_20221225_L1_smca1c23d20210421p1-8.txt Full location name: Rutgers NJDEP (USEPA AQS ID 34-023-0011) Short location name: NewBrunswickNJ Country of location: USA Location latitude [deg]: 40.4622 Location longitude [deg]: -74.4294 Location altitude [m]: 19 Local noon date: 20221225 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: based on s13, field cal for NewBrunswick, revisited HCHO First and last pixel inside fitting window: 259 400 Nominal wavelengths inside fitting window [nm]: 305.1248 305.2657 305.4066 305.5475 305.6883 305.8292 305.9700 306.1109 306.2517 306.3925 306.5333 306.6741 306.8148 306.9556 307.0963 307.2371 307.3778 307.5185 307.6592 307.7999 307.9406 308.0812 308.2219 308.3625 308.5032 308.6438 308.7844 308.9250 309.0656 309.2062 309.3467 309.4873 309.6278 309.7683 309.9089 310.0494 310.1898 310.3303 310.4708 310.6113 310.7517 310.8921 311.0326 311.1730 311.3134 311.4537 311.5941 311.7345 311.8748 312.0152 312.1555 312.2958 312.4361 312.5764 312.7167 312.8570 312.9972 313.1375 313.2777 313.4179 313.5581 313.6983 313.8385 313.9787 314.1189 314.2590 314.3991 314.5393 314.6794 314.8195 314.9596 315.0997 315.2397 315.3798 315.5198 315.6599 315.7999 315.9399 316.0799 316.2199 316.3598 316.4998 316.6397 316.7797 316.9196 317.0595 317.1994 317.3393 317.4792 317.6190 317.7589 317.8987 318.0386 318.1784 318.3182 318.4580 318.5978 318.7375 318.8773 319.0170 319.1568 319.2965 319.4362 319.5759 319.7156 319.8552 319.9949 320.1345 320.2742 320.4138 320.5534 320.6930 320.8326 320.9722 321.1117 321.2513 321.3908 321.5303 321.6698 321.8093 321.9488 322.0883 322.2278 322.3672 322.5067 322.6461 322.7855 322.9249 323.0643 323.2037 323.3430 323.4824 323.6217 323.7611 323.9004 324.0397 324.1790 324.3183 324.4575 324.5968 324.7360 324.8753 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20221225T130545.8Z 8394.545669 64 1 48.97 2 83.55 128.42 107.31 108.17 0.00 1 0.00 1 0 17 5.381e-01 2.542e-02 4.425e-01 2.044e-02 1.011127e+00 1.229139e-02 1.094612e-02 -6.000000e+00 3.091456e-01 223.16 -2.00 3.50 -2.00 322.42 0.00e+00 3.431311e-03 5.376827e-03 1.501108e-03 -6.000000e+00 1.326929e-02 276.89 -2.00 20.00 -2.00 322.07 0.00e+00 8.063 0.009 302.00 328.00 3 1.5862e-01 4.1200e-02 9.6543e-02 -6.0000e+00 7.6531e-01 1.4705e+00 5.1830e-02 5.3002e-02 -6.0000e+00 8.3393e-01 -1.8615e+00 4.8205e-02 2.9599e-02 -6.0000e+00 4.9252e-01 7.3526e-01 2.5152e-02 1.0543e-02 -6.0000e+00 2.1179e-01 4.8881e-05 -2.3102e-03 5.9686e-04 1.7185e-04 -6.0000e+00 1.5782e-02 1.4682e-02 2.9408e-05 12 8 8 10 0 0 73.08 22.06 0.83 0.01468 -0.00268 39 8 1 5 0 1255.330 25.39 20.00 22.06 -1.74 21.1 859.76 -28542 3208 -81458 900000 -97093 74055 -60502 -29742 -38524 -75877 -108390 900000 70247 -28964 -11624 -31020 96160 167920 125033 20861 900000 41839 -39507 19511 -61507 278812 7328 900000 900000 900000 -15779 63777 37701 207417 29852 -20208 93571 86822 47650 89827 179975 -2822 76952 57360 45294 59406 -41339 34563 67095 119501 31560 106833 16311 51283 27426 32756 50295 -12458 64171 -3493 14516 45084 52066 21792 19914 44815 28250 21022 12222 24600 5014 15142 22837 8157 12736 8094 -6069 -24982 6302 -3112 8358 -1391 258 3123 -10208 133 1064 5972 -816 6144 -10857 -2268 -6906 -3455 -693 -3033 13157 -5674 1070 -3031 24 -2693 -3063 -4443 -7147 -1695 -4205 -338 -1782 1082 -3401 1343 963 -531 295 -3293 -248 -455 2999 -178 1276 3364 1517 3828 463 1564 -438 282 -75 828 315 1392 -916 -201 384 128 560 -485 -923 -154 247 -990 -981 81 -4422 900000 -4216 1474 -1642 -592 -836 -2334 -4707 900000 1398 -1048 -421 -1515 1914 3342 2489 604 900000 833 -1787 494 -3450 5549 186 900000 900000 900000 -657 1385 1160 4128 864 -951 1862 1728 1638 2275 3582 -194 2367 2076 1803 2042 -3964 1626 2428 3092 1999 3827 1417 3340 2332 2667 3367 -1465 3576 -335 1208 3100 3863 2445 2342 4136 3220 2777 1990 3961 1034 2795 3636 1343 1751 1054 -911 -5063 1129 -743 2102 -440 87 1079 -4267 52 424 2269 -323 2134 -4184 -784 -2612 -1431 -334 -1795 7880 -4713 877 -2512 17 -1798 -1890 -2846 -4992 -1184 -3272 -284 -1751 1208 -4505 1816 1331 -734 393 -4522 -341 -661 4362 -265 1779 4358 1930 4592 560 1836 -540 393 -124 1568 672 3206 -2324 -544 1104 378 1671 -1460 -2686 -412 603 -2289 SS 20221225T131649.0Z 8394.553345 67 1 49.47 2 81.93 130.38 105.40 109.69 0.00 1 0.00 1 0 25 6.386e-01 1.464e-02 3.211e-01 7.674e-03 8.734703e-01 4.438050e-03 9.390286e-03 -6.000000e+00 3.682003e-01 223.16 -2.00 3.50 -2.00 322.14 0.00e+00 5.477394e-03 1.995890e-03 1.307425e-03 -6.000000e+00 1.544064e-02 276.89 -2.00 20.00 -2.00 321.80 0.00e+00 6.668 0.005 302.00 328.00 3 4.0813e-01 1.4682e-02 8.1008e-02 -6.0000e+00 9.1304e-01 5.5133e-01 2.2369e-02 4.7847e-02 -6.0000e+00 9.9706e-01 -7.3052e-01 2.6561e-02 2.8504e-02 -6.0000e+00 5.8562e-01 2.9108e-01 1.2755e-02 1.0303e-02 -6.0000e+00 2.4783e-01 1.9158e-04 -1.5822e-03 2.3366e-04 1.4666e-04 -6.0000e+00 1.8259e-02 1.5071e-02 -2.8577e-05 12 8 8 10 0 0 99.74 22.06 0.51 0.01507 0.00318 87 18 1 5 0 568.460 25.39 19.99 22.06 -1.19 21.0 862.64 -207288 -186406 -214555 -220536 -205121 -135320 -129836 900000 -241889 -908 -204091 -176579 -100235 -106540 60339 -98998 887 -78489 262794 -40596 12688 -48353 -70238 -41603 -50248 900000 -90011 -4237 -70844 90323 -12637 24884 33067 -44140 32122 -26664 15067 -37079 12664 -12483 3527 9089 20549 11978 -6878 18038 -4417 4536 4334 44840 10782 28110 16832 18377 29913 6256 29705 14814 28427 5468 13547 8439 7295 21340 3038 16705 9449 5004 7095 10309 8044 9232 7478 7301 4493 2421 3218 -6533 1817 -1283 -855 -4 -1683 966 -1100 1116 -1138 4495 1738 1885 -1632 -541 -2605 -3226 -1689 -2474 -2555 -1332 667 -1337 -1029 -961 -1574 -1600 -2645 -1898 -1887 -284 -1111 -213 -8 -423 -236 -645 195 597 308 -1034 134 119 1608 638 1208 1094 823 428 372 1331 76 824 691 475 557 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1.127740e-03 8.420181e-04 -6.000000e+00 1.332329e-02 276.89 -2.00 20.00 -2.00 321.11 0.00e+00 5.743 0.003 302.00 328.00 3 3.7265e-01 8.5668e-03 6.9774e-02 -6.0000e+00 8.1126e-01 2.0856e-01 1.2575e-02 4.1189e-02 -6.0000e+00 8.8494e-01 -2.9770e-01 1.5131e-02 2.3643e-02 -6.0000e+00 5.2192e-01 1.2117e-01 7.4336e-03 8.1281e-03 -6.0000e+00 2.2182e-01 5.5408e-04 -1.3896e-03 1.4816e-04 1.0788e-04 -6.0000e+00 1.6145e-02 1.4330e-02 -3.2581e-05 12 9 9 12 1 1 99.13 22.07 0.34 0.01433 0.00389 26 24 1 5 0 416.360 25.39 20.00 22.07 -0.91 21.0 865.33 -231582 -215265 -192219 -229347 -148603 -83257 -223455 -133320 -163860 -219411 -120466 -83620 -73708 -112418 -60641 -10443 -45381 -61966 -55281 -43516 -28240 -77620 -47879 -45558 -57453 -5202 -17403 -62916 -24486 -43941 8112 -17658 -13318 -13431 969 -13233 -7537 1195 29545 21847 11613 14177 2890 8376 16630 15098 4625 3323 10250 9993 9291 4778 15189 955 7310 2865 3915 6297 -410 6513 2898 4965 5226 6721 3183 6534 1902 4289 542 3798 3859 2899 3113 142 -21 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